Application of Quantum Annealing to Computation of Molecular Properties

TL;DR

This paper demonstrates how quantum annealing can be used to compute molecular properties, specifically electric dipole moments, by applying a finite field method and measuring energy responses.

Contribution

It introduces a novel approach for calculating molecular properties using quantum annealing, expanding its application in quantum chemistry.

Findings

Quantum annealing can accurately compute electric dipole moments.

The finite field method is effective in quantum annealing frameworks.

Results show promising accuracy compared to classical methods.

Abstract

We present the results of our quantum annealing computations of the permanent electric dipole moments of several molecules. By applying an electric field as a perturbation and measuring the corresponding energy responses, the molecular electric dipole moments are obtained numerically through the finite field method. The ground-state electronic wavefunctions and energies are obtained using the quantum annealer eignsolver algorithm. This work provides a pathway for the computation of molecular properties in the quantum annealing paradigm.